5-amino-4-(1,3-benzothiazol-2-yl)-1-octyl-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-octyl-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-octyl-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0289 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-octyl-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 343.49 |
| Molecular Formula: | C19 H25 N3 O S |
| Smiles: | CCCCCCCCN1CC(C(=C1N)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2249 |
| logD: | 5.2249 |
| logSw: | -4.9277 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.115 |
| InChI Key: | WZRHYTLVPHCBGA-UHFFFAOYSA-N |